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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-butyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-butyl-
SpectraBase Compound ID 8nhBZyyZVN5
InChI InChI=1S/C21H35NO/c1-6-7-14-22(15-13-19-11-9-8-10-12-19)20(23)16-18(2)17-21(3,4)5/h8-12,18H,6-7,13-17H2,1-5H3
InChIKey SIKRHEGQEVRDEN-UHFFFAOYSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HJWNz68lzff
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-butyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-6-7-14-22(15-13-19-11-9-8-10-12-19)20(23)16-18(2)17-21(3,4)5/h8-12,18H,6-7,13-17H2,1-5H3
InChIKey SIKRHEGQEVRDEN-UHFFFAOYSA-N
Molecular Weight 317.517 g/mol
SMILES C(CC(CC(N(CCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909278